Water−Silica Force Field for Simulating Nanodevices
نویسندگان
چکیده
منابع مشابه
Obstacle avoidance for an autonomous vehicle using force field method
This paper presents a force field concept for guiding a vehicle at a high speed maneuver. This method is similar to potential field method. In this paper, motion constrains like vehicles velocity, distance to obstacle and tire conditions and such lane change conditions as zero slop condition and zero lateral acceleration are discussed. After that, possible equations as vehicles path ar...
متن کاملThe POSSIM Force Field: Developing Parameters for Organic Molecules and Simulating Biochemical Systems
Computational modeling of chemical systems has provided a fast and cost-effective method of approximating molecular properties and interactions, especially those that cannot be determined experimentally. Here, the POSSIM (POlarizable Simulations with Second order Interaction Model) force field is used in order to demonstrate the efficacy of polarizability in accurately reproducing experimentall...
متن کاملCoarse-grained force field for simulating polymer-tethered silsesquioxane self-assembly in solution.
A coarse-grained model has been developed for simulating the self-assembly of nonyl-tethered polyhedral oligomeric silsesquioxane (POSS) nanoparticles in solution. A mapping scheme for groups of atoms in the atomistic molecule onto beads in the coarse-grained model was established. The coarse-grained force field consists of solvent-mediated effective interaction potentials that were derived via...
متن کاملA new multiscale modeling method for simulating the loss processes in polymer solar cell nanodevices.
The photoelectric power conversion efficiency of polymer solar cells is till now, compared to conventional inorganic solar cells, still relatively low with maximum values ranging from 7% to 8%. This essentially relates to the existence of exciton and charge carrier loss phenomena, reducing the performance of polymer solar cells significantly. In this paper we introduce a new computer simulation...
متن کاملProgrammable Nanocontrollers For Nanodevices
Advances in nanotechnology have made it possible to assemble nanostructures into a wide range of micrometer-scale sensors, actuators, and other novel devices... and to place thousands of such devices on a single chip. Most of these devices can benefit from intelligent control, but the control often requires full programmability for each device’s controller. Routing thousands of signals off-chip...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: The Journal of Physical Chemistry B
سال: 2006
ISSN: 1520-6106,1520-5207
DOI: 10.1021/jp063896o